CID 58227847

3-(oxan-4-yl)cyclobutan-1-one

Structural Information

Molecular Formula
C9H14O2
SMILES
C1COCCC1C2CC(=O)C2
InChI
InChI=1S/C9H14O2/c10-9-5-8(6-9)7-1-3-11-4-2-7/h7-8H,1-6H2
InChIKey
PCBRXEOVNDUSCL-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)cyclobutan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

154.09938 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 124.4
[M+Na]+ 177.088598 128.4
[M-H]- 153.092104 130.9
[M+NH4]+ 172.133203 137.5
[M+K]+ 193.062538 131.8
[M+H-H2O]+ 137.096640 113.9
[M+HCOO]- 199.097581 142.9
[M+CH3COO]- 213.113231 178.4
[M+Na-2H]- 175.074046 130.2
[M]+ 154.09883142 129.1
[M]- 154.09992858 129.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe